SCHEMBL7737609

SCHEMBL7737609

CCC(=O)C1CCC(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 2/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
HSD11B1 P28845 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15199188 1.00 ALDH1A1 (0.35) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL17208385 1.00 ALDH1A1 (0.35) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL13267738 0.93 ALDH1A1 (0.36) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL256670 0.89
SCHEMBL14188604 0.83 ALDH1A1 (0.37) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL13018343 0.82 ALDH1A1 (0.34) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL256032 0.81
SCHEMBL2128026 0.81
SCHEMBL27787478 0.81 TDP1 (0.33) ALDH1A1MAPTSMN1; SMN2TDP1FFAR3
SCHEMBL4433068 0.80 ALDH1A1 (0.47) ALDH1A1NPC1EPHX1KDM4EALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
US-10039843-B2 Paramagnetic solid lipid nanoparticles (pSLNs) containing metal amphiphilic complexes for MRI BRACCO IMAGING S.P.A. (IT) 2018-08-07 US disclosed
US-9981046-B2 Drug-conjugates, conjugation methods, and uses thereof Concortis Biosystems, Corp., a wholly owned Subsidiary of Sorrento Therapeutics, Inc. (US) 2018-05-29 US disclosed
US-9867811-B2 Method of treating atherosclerosis in high triglyceride subjects NOVARTIS AG (CH) 2018-01-16 US disclosed
CN-105073746-B Substituted imidazopyridines as HDM2 inhibitors 默沙东公司 2017-03-22 CN disclosed
US-20160067350-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned Subsidiary of Sorrento Therapeutics, Inc. (US) 2016-03-10 US disclosed
US-9259491-B2 Class of diazepine derivative chelating agents and complexes with paramagnetic metals thereof as MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2016-02-16 US disclosed
CN-105073746-A Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME 2015-11-18 CN disclosed
US-20150258221-A1 Paramagnetic Solid Lipid Nanoparticles (pSLNs) Containing Metal Amphiphilic Complexes For MRI BRACCO IMAGING S.P.A. (IT) 2015-09-17 US disclosed
US-20150037261-A1 New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents BRACCO IMAGING S.P.A. (IT) 2015-02-05 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8481042-B2 Conjugates of pyrrolo[1,4]benzodiazepine dimers as anticancer agents SANOFI (FR) 2013-07-09 US disclosed
US-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI (FR) 2012-09-27 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-6414031-B1 CONTROLLING FUNGI BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
CN-1301249-A Bisoximether derivatives, methods and intermediate products for the production thereof, and their use for combating fungicidal pests and animal pests BASF AG (DE) 2001-06-27 CN disclosed
EP-1077953-A2 BISOXIMETHER DERIVATIVES, METHODS AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF, AND THEIR USE FOR COMBATING FUNGICIDAL PESTS AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
WO-1999059982-A2 BISOXIMETHER DERIVATIVES, INTERMEDIATE PRODUCTS, AND THEIR USE FOR COMBATING FUNGICIDAL PESTS AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150037261-A1 New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents BAZ2A, BAZ2B, BAZ1A ALDH1A1 4327/4885NPC1 2113/4885EPHX1 3360/4885
US-10039843-B2 Paramagnetic solid lipid nanoparticles (pSLNs) containing metal amphiphilic complexes for MRI PLIN3, PEX3, SLC39A3 ALDH1A1 4600/4885NPC1 161/4885EPHX1 3064/4885
US-20160067350-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof PAICS, CES2, DNPEP ALDH1A1 160/4885NPC1 635/4885EPHX1 550/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 ALDH1A1 408/4885NPC1 436/4885EPHX1 2961/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALDH1A1 4703/4885NPC1 2676/4885EPHX1 3837/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL ALDH1A1 2445/4885NPC1 4014/4885EPHX1 3672/4885
US-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRA1, GABRA2 ALDH1A1 908/4885NPC1 2597/4885EPHX1 2213/4885
US-20150258221-A1 Paramagnetic Solid Lipid Nanoparticles (pSLNs) Containing Metal Amphiphilic Complexes For MRI PLIN3, PEX3, SLC39A3 ALDH1A1 4600/4885NPC1 161/4885EPHX1 3064/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.